1-[3-[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione

C20H26N4O4 — CID 156604654

IUPAC1-[3-[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
SMILESCOc1ccc(C2CN(C(=O)CCn3ccc(=O)[nH]c3=O)CC2N(C)C)cc1
InChIInChI=1S/C20H26N4O4/c1-22(2)17-13-24(12-16(17)14-4-6-15(28-3)7-5-14)19(26)9-11-23-10-8-18(25)21-20(23)27/h4-8,10,16-17H,9,11-13H2,1-3H3,(H,21,25,27)
InChIKeyWZZCNLCCBFEQQH-UHFFFAOYSA-N
MW386.45 g/mol
LogP0.49
Rot. Bonds6

About 1-[3-[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione

1-[3-[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione (PubChem CID 156604654) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is 1-[3-[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[3-[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
PubChem CID156604654
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC Name1-[3-[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
SMILESCOc1ccc(C2CN(C(=O)CCn3ccc(=O)[nH]c3=O)CC2N(C)C)cc1
InChIInChI=1S/C20H26N4O4/c1-22(2)17-13-24(12-16(17)14-4-6-15(28-3)7-5-14)19(26)9-11-23-10-8-18(25)21-20(23)27/h4-8,10,16-17H,9,11-13H2,1-3H3,(H,21,25,27)
InChIKeyWZZCNLCCBFEQQH-UHFFFAOYSA-N
XLogP0.49
TPSA87.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-[(3S,4R)-3-(dimethylamino)-4-(4-methylphenyl)pyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
CID 70712257
3-[2-[(3S,4R)-3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 72900722
1-[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 156606635
[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 156606912
[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 156604067
1-[3-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
CID 90505651
1-[3-[(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
CID 100616302
[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 156606417
1-[3-[(3R,4R)-3-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
CID 70705203
1-[(3S,4R)-3-(dimethylamino)-4-(4-methylphenyl)pyrrolidin-1-yl]-2-hydroxyethanone
CID 72929443
1-[3-[(1R,5R)-6-(3-methylbut-2-enyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-3-oxopropyl]pyrimidine-2,4-dione
CID 70772137
3-(2,4-dioxopyrimidin-1-yl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]propanamide
CID 90548872

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[3-[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione (CID 156604654) is 1-[3-[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[3-[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[3-[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione is COc1ccc(C2CN(C(=O)CCn3ccc(=O)[nH]c3=O)CC2N(C)C)cc1.
What is the InChIKey of 1-[3-[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione?
The InChIKey is WZZCNLCCBFEQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-22(2)17-13-24(12-16(17)14-4-6-15(28-3)7-5-14)19(26)9-11-23-10-8-18(25)21-20(23)27/h4-8,10,16-17H,9,11-13H2,1-3H3,(H,21,25,27).
What are the key properties of 1-[3-[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione?
1-[3-[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione has a molecular weight of 386.45 g/mol, XLogP of 0.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione is sourced from PubChem (CID 156604654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).